CAS 915087-24-0

1 2D Structure

CAS 915087-24-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoro-N-methyl-4-nitrobenzamide

2.1.2 InChI

InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)

2.1.3 InChI Key

CWGRZEVFBBAKCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 915087-24-0

2. N-methyl-2-fluoro-4-nitrobenzamide

3. 2-fluoro-n-methyl-4-nitro-benzamide

4. Mfcd09909407

5. Benzamide,2-fluoro-n-methyl-4-nitro-

6. Schembl547498

7. Dtxsid40702697

8. Amy42078

9. Bcp12300

10. Cs-m1521

11. Ab3779

12. N-methyl-2-fluoro-4 -nitrobenzamide

13. Ac-29970

14. As-44734

15. Sy039791

16. Db-079057

17. Ft-0687534

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₈H₇FN₂O₃
Molecular Weight	198.15 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	74.9
Heavy Atom Count	14
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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